CID 21149803

94159-77-0

Structural Information

Molecular Formula
C19H19F23NO3
SMILES
C[N+](CCO)(CCO)CC(CC(C(C(C(C(C(C(C(C(C(F)(F)F)(C(F)(F)F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O
InChI
InChI=1S/C19H19F23NO3/c1-43(2-4-44,3-5-45)7-8(46)6-9(20,21)11(23,24)13(27,28)15(31,32)17(35,36)16(33,34)14(29,30)12(25,26)10(22,18(37,38)39)19(40,41)42/h8,44-46H,2-7H2,1H3/q+1
InChIKey
GQRHHQSDLQVIGL-UHFFFAOYSA-N
Compound name
bis(2-hydroxyethyl)-[4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,13,13,13-icosafluoro-2-hydroxy-12-(trifluoromethyl)tridecyl]-methylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

746.0998 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 747.10708 152.7
[M+Na]+ 769.08902 152.7
[M+NH4]+ 764.13362 152.8
[M+K]+ 785.06296 152.7
[M-H]- 745.09252 152.7
[M+Na-2H]- 767.07447 152.7
[M]+ 746.09925 152.7
[M]- 746.10035 152.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.